(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole

C12H19N — CID 14003979

IUPAC(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole
SMILESC1CC[C@@H]2N[C@@H]3CCCCC3=C2C1
InChIInChI=1S/C12H19N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-13H,1-8H2/t11-,12+
InChIKeyLDTHQUBWYPOWIT-TXEJJXNPSA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds

About (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole

(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole (PubChem CID 14003979) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole.

Molecular Properties

Compound Name(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole
PubChem CID14003979
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole
SMILESC1CC[C@@H]2N[C@@H]3CCCCC3=C2C1
InChIInChI=1S/C12H19N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-13H,1-8H2/t11-,12+
InChIKeyLDTHQUBWYPOWIT-TXEJJXNPSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole?
The IUPAC name of (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole (CID 14003979) is (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole.
What is the SMILES notation for (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole?
The canonical SMILES for (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole is C1CC[C@@H]2N[C@@H]3CCCCC3=C2C1.
What is the InChIKey of (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole?
The InChIKey is LDTHQUBWYPOWIT-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H19N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-13H,1-8H2/t11-,12+.
What are the key properties of (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole?
(8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole has a molecular weight of 177.29 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS,9aR)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-carbazole is sourced from PubChem (CID 14003979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).